N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide

C22H24ClFN4O2 — CID 46939321

IUPACN-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C22H24ClFN4O2/c23-17-2-1-3-19(14-17)28-15-26-21(30)22(28)8-11-27(12-9-22)13-10-25-20(29)16-4-6-18(24)7-5-16/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)
InChIKeyWJSLAVJCDJVONB-UHFFFAOYSA-N
MW430.91 g/mol
LogP2.64
Rot. Bonds5

About N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide

N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide (PubChem CID 46939321) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
PubChem CID46939321
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC NameN-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C22H24ClFN4O2/c23-17-2-1-3-19(14-17)28-15-26-21(30)22(28)8-11-27(12-9-22)13-10-25-20(29)16-4-6-18(24)7-5-16/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)
InChIKeyWJSLAVJCDJVONB-UHFFFAOYSA-N
XLogP2.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide with MolForge

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Related Compounds

Spiperone
CID 5265
N-Methylspiroperidol
CID 119146
Halopemide
CID 65490
3-[2-(Butylamino)ethyl]-8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23383556
Fluspiperone
CID 166535
Cloperidone
CID 10675
Milenperone
CID 65489
8-[(2,6-Dichlorophenyl)methyl]-3-[2-(methylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190599
8-[(2,6-Dichlorophenyl)methyl]-3-[2-(ethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190600
8-[(2,6-Dichlorophenyl)methyl]-1-phenyl-3-[2-(propan-2-ylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190601
8-[(2,6-Dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190604
8-[(2,6-Dichlorophenyl)methyl]-3-{2-[(2-methylpropyl)amino]ethyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190605

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide (CID 46939321) is N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide is O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide?
The InChIKey is WJSLAVJCDJVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c23-17-2-1-3-19(14-17)28-15-26-21(30)22(28)8-11-27(12-9-22)13-10-25-20(29)16-4-6-18(24)7-5-16/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30).
What are the key properties of N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide?
N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide has a molecular weight of 430.91 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 46939321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).